CHEBI:39084 - linkable gefitinib analogue

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ChEBI Name linkable gefitinib analogue ChEBI ID CHEBI:39084 Definition An analogue of gefitinib in which the morpholino group is replaced by NH2. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H18ClFN4O2 Net Charge 0 Average Mass 376.81238 Monoisotopic Mass 376.11023 InChI InChI=1S/C18H18ClFN4O2/c1-25-16-9-15-12(8-17(16)26-6-2-5-21)18(23-10-22-15)24-11-3-4-14(20)13(19)7-11/h3-4,7-10H,2,5-6,21H2,1H3,(H,22,23,24) InChIKey IJCUTMPLJMWBTB-UHFFFAOYSA-N SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN ChEBI Ontology Outgoing linkable gefitinib analogue (CHEBI:39084) has functional parent gefitinib (CHEBI:49668) linkable gefitinib analogue (CHEBI:39084) is a organochlorine compound (CHEBI:36683) linkable gefitinib analogue (CHEBI:39084) is a organofluorine compound (CHEBI:37143) linkable gefitinib analogue (CHEBI:39084) is a quinazolines (CHEBI:38530) IUPAC Name 6-(3-aminopropoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine Registry Number Type Source 18301260 Reaxys Registry Number Reaxys Last Modified 22 August 2011

General Comment 2007-08-01 Analogue of gefitinib used in protein-binding studies.